CID 119644

Acetamide, n-(m-anisyl)-2-(p-butoxyphenoxy)-n-(2-(diethylamino)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C25H36N2O4
SMILES
CCCCOC1=CC=C(C=C1)OCC(=O)N(CCN(CC)CC)C2=CC(=CC=C2)OC
InChI
InChI=1S/C25H36N2O4/c1-5-8-18-30-22-12-14-23(15-13-22)31-20-25(28)27(17-16-26(6-2)7-3)21-10-9-11-24(19-21)29-4/h9-15,19H,5-8,16-18,20H2,1-4H3
InChIKey
WTGIOIOUYNTEGY-UHFFFAOYSA-N
Compound name
2-(4-butoxyphenoxy)-N-[2-(diethylamino)ethyl]-N-(3-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.26752 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.27480 210.3
[M+Na]+ 451.25674 211.8
[M-H]- 427.26024 217.9
[M+NH4]+ 446.30134 220.2
[M+K]+ 467.23068 210.7
[M+H-H2O]+ 411.26478 199.1
[M+HCOO]- 473.26572 233.7
[M+CH3COO]- 487.28137 241.0
[M+Na-2H]- 449.24219 209.1
[M]+ 428.26697 219.1
[M]- 428.26807 219.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe